SCHEMBL95941

SCHEMBL95941

[CH2]CCCCCSc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
MAPK1 P28482 1/20 0.58
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
CYP1A2 P05177 3/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16893772 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1HDAC1HDAC2HDAC3
SCHEMBL16893559 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1HDAC1HDAC2HDAC3
SCHEMBL5145617 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1HDAC1HDAC2HDAC3
SCHEMBL5077128 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1HDAC1HDAC2HDAC3
SCHEMBL5144121 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1HDAC1HDAC2HDAC3
SCHEMBL16893942 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1HDAC1HDAC2HDAC3
SCHEMBL97636 0.98 ALDH1A1 (0.61) ALDH1A1MAPK1HDAC1HDAC2HDAC3
SCHEMBL95488 0.91 ALDH1A1 (0.64) ALDH1A1MAPK1HDAC1HDAC2HDAC3
SCHEMBL5169003 0.89 ALDH1A1 (0.74) ALDH1A1MAPK1HDAC1HDAC2HDAC3
SCHEMBL5167895 0.89 ALDH1A1 (0.74) ALDH1A1MAPK1HDAC1HDAC2HDAC3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115521230-A Silicon-containing monomer, photocuring composition, packaging film and organic electroluminescent device comprising packaging film 吉林奥来德光电材料股份有限公司 2022-12-27 CN claimed
CN-114957314-A Compound for film packaging, composition, packaging film and film packaging structure 吉林奥来德光电材料股份有限公司 2022-08-30 CN claimed
US-5120849-A Reacting cyclic imidoether with aminoalcohol BASF AKTIENGESELLSCHAFT (DE) 1992-06-09 US claimed
CN-114685551-B Compound for packaging film, composition and packaging film 吉林奥来德光电材料股份有限公司 2023-12-26 CN disclosed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
CN-113603614-B Compound, compound composed of compound, application and display panel 吉林奥来德光电材料股份有限公司 2023-04-07 CN disclosed
CN-115521230-A Silicon-containing monomer, photocuring composition, packaging film and organic electroluminescent device comprising packaging film 吉林奥来德光电材料股份有限公司 2022-12-27 CN disclosed
CN-114957314-A Compound for film packaging, composition, packaging film and film packaging structure 吉林奥来德光电材料股份有限公司 2022-08-30 CN disclosed
CN-114685551-A Compound for packaging film, composition and packaging film 吉林奥来德光电材料股份有限公司 2022-07-01 CN disclosed
CN-107315318-B Photosensitive composition 东京应化工业株式会社 2022-07-01 CN disclosed
CN-113135952-B Light-cured monomer, light-cured composition, packaging film and display device 吉林奥来德光电材料股份有限公司 2022-06-17 CN disclosed
US-5053514-A Side effect reduction; carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-10-01 US disclosed
EP-0244786-B1 PROCESS FOR PREPARING 0-SUBSTITUTED HYDROXYLAMINES BASF Aktiengesellschaft (DE) 1991-03-06 EP disclosed
US-4886809-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-12-12 US disclosed
US-4824834-A TREATING GOUT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-04-25 US disclosed
EP-0269859-A2 Pyrazolotriazine compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-06-08 EP disclosed
EP-0255134-A2 Carbostyril derivatives and salts thereof, process for preparing them, and cardiotonic composition containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-02-03 EP disclosed
EP-0244786-A1 Process for preparing 0-substituted hydroxylamines BASF Aktiengesellschaft (DE) 1987-11-11 EP disclosed
US-4393070-A HYPOTENSIVE, VASODILATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-07-12 US disclosed
US-4307103-A TREATMENT OF HYPERTENSION AND CARDIOVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-22 US disclosed